Benzene

Benzene

SCHEMBL28335997

O=C(OI)C(F)(F)F.c1ccccc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL282295 0.91
SCHEMBL27599816 0.88
Benzene SCHEMBL28036071 0.72 KCNN4 (0.48) CES1
Benzene SCHEMBL11002796 0.72 CES1 (0.37) CES1
Benzene SCHEMBL28777256 0.69 CES1 (0.43) CES1
Hydrogen Peroxide SCHEMBL2051538 0.69 CA2 (0.33) CES1
SCHEMBL7516120 0.69
SCHEMBL21339899 0.69
Trifluoroacetic Acid SCHEMBL4345243 0.68 CES1 (0.48) CES1
Bicarbonate SCHEMBL27594838 0.67 CA2 (0.33) CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843600-A Fluorescent probe for detecting hypochlorous acid and preparation method and use method thereof 浙江理工大学 2024-04-09 CN claimed
CN-117486968-B Preparation method of snake venom peptide 深圳创元生物医药科技有限公司 2024-03-29 CN claimed
CN-113717033-B Benzyl ether compound and synthesis method thereof 嘉兴学院 2024-03-15 CN claimed
CN-117486968-A Preparation method of snake venom peptide 深圳创元生物医药科技有限公司 2024-02-02 CN claimed
CN-117263933-A Alpha-carboline derivative and synthesis method thereof 湘潭大学 2023-12-22 CN claimed
CN-116891425-A Alpha-trifluoromethyl diazonium sulfonium salt compound and application thereof 遵义医科大学 2023-10-17 CN claimed
CN-115710219-A Method for preparing meta cyano-substituted pyridine compound 南开大学 2023-02-24 CN claimed
CN-115286615-A Preparation method of racemic nicotine 深圳市真味生物科技有限公司 2022-11-04 CN claimed
CN-111909170-B Organic electroluminescent compound, preparation method thereof and organic electroluminescent device comprising organic electroluminescent compound 吉林奥来德光电材料股份有限公司 2022-08-12 CN claimed
CN-114560859-A Indoloquinoline derivative and preparation method and application thereof 华中师范大学 2022-05-31 CN claimed
CN-111499569-B Method for simultaneously synthesizing 5-bromo-2-phenylpyridine and 2- (4-bromophenyl) pyridine in one step without metal catalysis 华中科技大学 2021-05-14 CN claimed
CN-109134267-B Synthetic method of aromatic amine compound 北京大学 2020-11-17 CN claimed
CN-111909170-A Organic electroluminescent compound, preparation method thereof and organic electroluminescent device comprising organic electroluminescent compound 吉林奥来德光电材料股份有限公司 2020-11-10 CN claimed
CN-111848635-A Hexa-membered heterocyclic organic light-emitting compound, preparation method thereof and photoelectric device 吉林奥来德光电材料股份有限公司 2020-10-30 CN claimed
CN-111718280-A P-type doped hole injection compound and application thereof 吉林奥来德光电材料股份有限公司 2020-09-29 CN claimed
CN-111635387-A Synthesis method of chromone derivative 都创(上海)医药科技有限公司 2020-09-08 CN claimed
CN-109608407-B Synthetic method of dibenzo seven-membered nitrogen-containing heterocyclic compound 河北科技大学 2020-08-11 CN claimed
CN-111499569-A Method for simultaneously synthesizing 5-bromo-2-phenylpyridine and 2- (4-bromophenyl) pyridine in one step without metal catalysis 华中科技大学 2020-08-07 CN claimed
CN-108218824-B Diphenyl [ b, d ] oxepane compound and preparation and application thereof 中国科学院大连化学物理研究所 2020-06-26 CN claimed
CN-110577527-A Method for synthesizing formyl substituted imidazo [1,2a ] pyridine compound 浙江工业大学 2019-12-17 CN claimed